(3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one

C15H22FN5O — CID 138511077

IUPAC(3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one
SMILESC[C@@H]1CCCN([C@@H]2CCCN(c3ncnc(N)c3F)C2)C1=O
InChIInChI=1S/C15H22FN5O/c1-10-4-2-7-21(15(10)22)11-5-3-6-20(8-11)14-12(16)13(17)18-9-19-14/h9-11H,2-8H2,1H3,(H2,17,18,19)/t10-,11-/m1/s1
InChIKeyLYFUCRCQMUYLRG-GHMZBOCLSA-N
MW307.37 g/mol
LogP1.43
Rot. Bonds2

About (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one

(3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one (PubChem CID 138511077) has the molecular formula C15H22FN5O and a molecular weight of 307.37 g/mol. Its IUPAC name is (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one
PubChem CID138511077
Molecular FormulaC15H22FN5O
Molecular Weight307.37 g/mol
Exact Mass307.18
IUPAC Name(3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one
SMILESC[C@@H]1CCCN([C@@H]2CCCN(c3ncnc(N)c3F)C2)C1=O
InChIInChI=1S/C15H22FN5O/c1-10-4-2-7-21(15(10)22)11-5-3-6-20(8-11)14-12(16)13(17)18-9-19-14/h9-11H,2-8H2,1H3,(H2,17,18,19)/t10-,11-/m1/s1
InChIKeyLYFUCRCQMUYLRG-GHMZBOCLSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one?
The IUPAC name of (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one (CID 138511077) is (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one.
What is the SMILES notation for (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one?
The canonical SMILES for (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one is C[C@@H]1CCCN([C@@H]2CCCN(c3ncnc(N)c3F)C2)C1=O.
What is the InChIKey of (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one?
The InChIKey is LYFUCRCQMUYLRG-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H22FN5O/c1-10-4-2-7-21(15(10)22)11-5-3-6-20(8-11)14-12(16)13(17)18-9-19-14/h9-11H,2-8H2,1H3,(H2,17,18,19)/t10-,11-/m1/s1.
What are the key properties of (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one?
(3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one has a molecular weight of 307.37 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-methylpiperidin-2-one is sourced from PubChem (CID 138511077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).